› 1u8e

X-ray diffraction
2.2Å resolution

HUMAN DIPEPTIDYL PEPTIDASE IV/CD26 MUTANT Y547F

Released:
DOI: 10.2210/pdb1u8e/pdb
PDB entry 1u8e coloured by chain, front view.
PDB entry 1u8e coloured by chain, side view.
PDB entry 1u8e coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Tyrosine 547 constitutes an essential part of the catalytic mechanism of dipeptidyl peptidase IV.
Bjelke JR, Christensen J, Branner S, Wagtmann N, Olsen C, Kanstrup AB, Rasmussen HB
J Biol Chem 279 34691-7 (2004)
PMID: 15175333

Function and Biology Details

Reaction catalysed: 
Release of an N-terminal dipeptide, Xaa-Yaa-|-Zaa-, from a polypeptide, preferentially when Yaa is Pro, provided Zaa is neither Pro nor hydroxyproline.
Biochemical function:
Biological process:
Cellular component:
Sequence domains:
Structure domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-151015 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecules (7 distinct):
Dipeptidyl peptidase 4 Chains: A, B
Molecule details ›
Chains: A, B
Length: 728 amino acids
Theoretical weight: 84.45 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: P27487 (Residues: 39-766; Coverage: 95%)
Gene names: ADCP2, CD26, DPP4
Sequence domains:
Structure domains:

Ligands and Environments

Carbohydrate polymer : NEW Components: NAG, FUC
Carbohydrate polymer
Carbohydrate polymer : NEW Components: NAG
Carbohydrate polymer
Carbohydrate polymer : NEW Components: NAG, NDG, MAN
Carbohydrate polymer
Carbohydrate polymer : NEW Components: NAG, BMA
Carbohydrate polymer
Carbohydrate polymer : NEW Components: NAG, NDG, BMA
Carbohydrate polymer
Carbohydrate polymer : NEW Components: NAG, NDG
Carbohydrate polymer
1 bound ligand:
Ligand NAG 3 x NAG
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: MAX II BEAMLINE I711
Spacegroup: P212121
Unit cell:
a: 118.757Å b: 121.373Å c: 129.086Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.215 0.215 0.268
Expression system: Spodoptera frugiperda

Quick links

Citations

4 review citations

Activity and selectivity cliffs for DPP-IV inhibitors: Lessons we can learn from SAR studies and their application to virtual screening.
Ojeda-Montes et al. (2018)
3 more

2 mentions without citation

Identification of novel human dipeptidyl peptidase-IV inhibitors of natural origin (part I): virtual screening and activity assays.
Guasch et al. (2012)
1 more